C226-0515 Screening compound: methyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]benzoate

C226-0515 Screening compound: methyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]benzoate
C226-0515 Screening compound: methyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-0515
methyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C226-0515

Molecular Formula

C18H13BrN2O4 (C18 H13 BrN2 O4)

Compound Name

methyl 2-[5-(4-bromophenyl)-1,2-oxazole-3-amido]benzoate

IUPAC name

methyl 2-[5-(4-bromophenyl)-12-oxazole-3-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1noc(-c(cc2)ccc2Br)c1)=O)=O

InChI

InChI=1S/C18H13BrN2O4/c1-24-18(23)13-4-2-3-5-14(13)20-17(22)15-10-16(25-21-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22)

InChI Key

SZPQKVSTKFTUJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.45

Polar Surface Area

65.341

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C226-0515 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-0515?
Check Price and Availability of C226-0515, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C226-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-0515
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C226-0515 available by request